N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C13H18N6 — CID 155941765

IUPACN-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCN(c1cc(-n2cncn2)ncn1)C1CCCCC1
InChIInChI=1S/C13H18N6/c1-18(11-5-3-2-4-6-11)12-7-13(16-9-15-12)19-10-14-8-17-19/h7-11H,2-6H2,1H3
InChIKeyANMAWENSKGCHQX-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.83
Rot. Bonds3

About N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 155941765) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID155941765
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCN(c1cc(-n2cncn2)ncn1)C1CCCCC1
InChIInChI=1S/C13H18N6/c1-18(11-5-3-2-4-6-11)12-7-13(16-9-15-12)19-10-14-8-17-19/h7-11H,2-6H2,1H3
InChIKeyANMAWENSKGCHQX-UHFFFAOYSA-N
XLogP1.83
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 163343857
N-cyclohexyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941768
4-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine
CID 59333372
N-cyclopropyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155941701
4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 123757404
2-cyclohexyl-1-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90626424
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
CID 115266206
N-cyclopropyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416474
6-(2,6-dimethylpiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 122282024
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
6-(1,2,4-triazol-1-yl)pyrimidine-4-carbothialdehyde
CID 19023654

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 155941765) is N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is CN(c1cc(-n2cncn2)ncn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is ANMAWENSKGCHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-18(11-5-3-2-4-6-11)12-7-13(16-9-15-12)19-10-14-8-17-19/h7-11H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 155941765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).